8-methoxy-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C676-0185 |
| Compound Name: | 8-methoxy-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CC(N3CCN(CC3)c3ccccn3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.852 |
| logD: | 1.8431 |
| logSw: | -2.7355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.984 |
| InChI Key: | BAZNKNBVBUDFQT-UHFFFAOYSA-N |